HRID311635

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

2 次

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID12336

4-Chlorobutyronitrile

C4H6ClN

HCID19660

Carbonate Ion

CO3-2

HCID123618

Tecastemizole

C19H21FN4

PRODUCTS

产物

HCID13588009

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e84c5eefb3d343f385a3763fbfc1a266
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

[BrH:7].[BrH:8].[Cl:1][CH2:2][CH2:3][CH2:4][C:5]#[N:6].[F:9][c:10]1[cH:11][cH:12][c:13]([CH2:16][n:17]2[c:18]([NH:26][CH:27]3[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]3)[n:19][c:20]3[c:21]2[cH:22][cH:23][cH:24][cH:25]3)[cH:14][cH:15]1.[Na+:33].[Na+:34].[O-:35][C:36](=[O:37])[O-:38].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[OH2:44]>>[CH2:2]([CH2:3][CH2:4][C:5]#[N:6])[N:30]1[CH2:29][CH2:28][CH:27]([NH:26][c:18]2[n:17]([CH2:16][c:13]3[cH:12][cH:11][c:10]([F:9])[cH:15][cH:14]3)[c:21]3[c:20]([n:19]2)[cH:25][cH:24][cH:23][cH:22]3)[CH2:32][CH2:31]1